[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine

C16H32N2S — CID 107456185

IUPAC[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine
SMILESCC1(C)CCN(CC2(CN)CCCCCC2)CCS1
InChIInChI=1S/C16H32N2S/c1-15(2)9-10-18(11-12-19-15)14-16(13-17)7-5-3-4-6-8-16/h3-14,17H2,1-2H3
InChIKeyGMTORAJZDDYKHN-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.50
Rot. Bonds3

About [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine

[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine (PubChem CID 107456185) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine
PubChem CID107456185
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine
SMILESCC1(C)CCN(CC2(CN)CCCCCC2)CCS1
InChIInChI=1S/C16H32N2S/c1-15(2)9-10-18(11-12-19-15)14-16(13-17)7-5-3-4-6-8-16/h3-14,17H2,1-2H3
InChIKeyGMTORAJZDDYKHN-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 107459430
[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanamine
CID 63159912
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
CID 107271986
4-[[1-(bromomethyl)cyclopropyl]methyl]-7,7-dimethyl-1,4-thiazepane
CID 107458344
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 107459312
7,7-dimethyl-4-[(3-propylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456138
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
4-(2-fluoroethyl)-7,7-dimethyl-1,4-thiazepane
CID 130739897
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]oxan-4-amine
CID 107456216
7,7-dimethyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456174
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 107456168

Frequently Asked Questions

What is the IUPAC name of [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine?
The IUPAC name of [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine (CID 107456185) is [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine is CC1(C)CCN(CC2(CN)CCCCCC2)CCS1.
What is the InChIKey of [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine?
The InChIKey is GMTORAJZDDYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-15(2)9-10-18(11-12-19-15)14-16(13-17)7-5-3-4-6-8-16/h3-14,17H2,1-2H3.
What are the key properties of [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine?
[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine has a molecular weight of 284.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 107456185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).